Chemistry 351 Useful Links

Molecular weight calculator plug-in for Excel (Great for percent yield calculations.)
Accelrys Draw (Free molecule drawing software. You will need to register first before downloading.)
ACD/ChemSketch (Another free molecule drawing software download.)
Hyperchem (molecular modeling software owned by WSU)

Databases available through the WSU library Includes on-line archive of all ACS journals!
Look up physical constants on-line: CambridgeSoft's ChemFinder
CHEMnetBASE. Try the Properties of Organic Compounds database!
http://www.emolecules.com/ Allows one to search for information by drawing the structure of the compound.
ChemIDPlus. Detailed toxicity data for 139,000 common compounds.
When all else fails try googling it! www.google.com
GoogleScholar is a great way to access the primary literature.

Database of Mass, IR, ESR, and NMR Spectra: NIMCR's ISDBS for Organic Compounds
Sigma-Aldrich is another place to look for NMR and IR spectra: www.SigmaAldrich.com

After you search the compound click for information on the specific product, then select the "Safety & Documentation". If NMR data is available there will be a link labeled "FT-NMR" in the Documents list.

C-13 Chemical Shifts: http://www.chem.wisc.edu/areas/reich/Handouts/nmr-c13/cdata.htm
H-1 Chemical Shifts: http://www.chem.wisc.edu/areas/reich/handouts/nmr-h/hdata.htm
WSU Spectral Database: Small database of compounds prepared at WSU.
Five-Ash database of IR spectra. (Use the WSU Library Databases link to access this database.)
Database of IR and Mass Spectra. NIST Chemistry WebBook
NMR Spectrum Predictor** http://www.nmrdb.org/predictor
C-13 NMR Shift Predictor** http://www.colby.edu/chemistry/PChem/scripts/MarvinWeb/smiBSmarv.html
**Beware putting too much credence in the NMR predictors. These only predict spectral data based on a relatively small set of known compounds' spectra. The results obtained cannot by any stretch be used as "true", "literature", or "theoretical" values. However, sometimes they can be used as a "guesstimate" of where your peaks should be.